Agrimoniin
[CAS# 82203-01-8]

Identification

• Name: Agrimoniin
• Synonyms: Aids-082270; Aids082270; Agrimoniin
• Molecular Formula: C₈₂H₅₄O₅₂
• Molecular Weight: 1871.30
• CAS Registry Number: 82203-01-8
• SMILES: [C@@H]4%16[C@H]([C@@H]3OC(C1=CC(=C(O)C(=C1C2=C(C(=C(C=C2C(OC[C@H]3O[C@@H]4OC(C5=C(C(=C(C(=C5)O)O)O)OC6=C(C(=CC(=C6)C(O[C@@H]%10[C@H]9[C@@H](OC(C7=CC(=C(C(=C7C8=C(O)C(=C(C=C8C(O9)=O)O)O)O)O)O)=O)[C@H]%12[C@H](O%10)COC(C%11=C(C(=C(C(=C%11)O)O)O)C%13=C(C(O%12)=O)C=C(C(=C%13O)O)O)=O)=O)O)O)=O)=O)O)O)O)O)O)=O)OC(C%14=CC(=C(O)C(=C%14C%15=C(O)C(=C(C=C%15C(O%16)=O)O)O)O)O)=O
• InChI: 1S/C82H54O52/c83-24-1-14(71(112)133-81-69-67(129-76(117)19-7-29(88)50(98)59(107)41(19)43-21(78(119)131-69)9-31(90)52(100)61(43)109)65-35(125-81)12-122-72(113)15-3-25(84)46(94)55(103)37(15)39-17(74(115)127-65)5-27(86)48(96)57(39)105)2-34(45(24)93)124-64-23(11-33(92)54(102)63(64)111)80(121)134-82-70-68(130-77(118)20-8-30(89)51(99)60(108)42(20)44-22(79(120)132-70)10-32(91)53(101)62(44)110)66-36(126-82)13-123-73(114)16-4-26(85)47(95)56(104)38(16)40-18(75(116)128-66)6-28(87)49(97)58(40)106/h1-11,35-36,65-70,81-111H,12-13H2/t35-,36-,65-,66-,67+,68+,69-,70-,81-,82-/m1/s1
• InChIKey: BZAFROBDXRJYTQ-JVEQELPQSA-N

Properties

• Density: 2.34g/cm³ (Cal.)